SCHEMBL9360749

SCHEMBL9360749

Nc1ccc(OCc2ccccc2)c(S(=O)(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.53
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NSD2 O96028 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
APOBEC3A P31941 1/20 0.48
RECQL P46063 1/20 0.48
CASP6 P55212 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL344641 0.85 ELANE (0.49) CYP19A1GAAMAPTL3MBTL1TDP1
SCHEMBL344718 0.84 ALOX5 (0.50) MAOBMAOARAB9ASMN1; SMN2CA12
SCHEMBL1028419 0.81 ALPG (0.51) MAPTL3MBTL1TDP1LTA4HMAPK14
SCHEMBL5677336 0.78 HSD17B10 (0.63) HSD17B10GAAMAPTL3MBTL1KDM4E
SCHEMBL5659691 0.77 MAOB (0.58) CYP19A1GAAMAPTL3MBTL1ALDH1A1
SCHEMBL8769337 0.77 POLB (0.56) HSD17B10GAAMAPTL3MBTL1KDM4E
SCHEMBL8164591 0.77 HSD17B10 (0.45) HSD17B10GAAMAPTL3MBTL1KDM4E
SCHEMBL9812902 0.77 HSD17B10 (0.45) HSD17B10GAAMAPTL3MBTL1KDM4E
SCHEMBL8912586 0.76 HSD17B10 (0.60) HSD17B10GAAMAPTL3MBTL1KDM4E
Hydrochloric Acid SCHEMBL11596441 0.76 GAA (0.56) CYP19A1GAAMAPTL3MBTL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356014-B1 Reactive Dyes ZENECA LTD (GB) 1994-11-30 EP disclosed
US-5019134-A Triphenodioxazines IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-05-28 US disclosed
EP-0356014-A1 Reactive Dyes ZENECA LIMITED (GB) 1990-02-28 EP disclosed